Theoretical study of the binding profile of an allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor

Guanglin Kuang; Xu Wang; Christer Halldin; Agneta Nordberg; Bengt Långström; Hans Ågren; Yaoquan Tu

doi:10.1039/c6cp02278b

Theoretical study of the binding profile of an allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor

Physical Chemistry Chemical Physics ◽

10.1039/c6cp02278b ◽

2016 ◽

Vol 18 (40) ◽

pp. 28003-28009 ◽

Cited By ~ 5

Author(s):

Guanglin Kuang ◽

Xu Wang ◽

Christer Halldin ◽

Agneta Nordberg ◽

Bengt Långström ◽

...

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Theoretical Study ◽

Allosteric Modulator ◽

Simulation Methods ◽

Binding Modes ◽

Free Energies ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine ◽

Binding Free Energies

The binding modes and binding free energies of the allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor have been studied by molecular simulation methods.

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Faculty Opinions recommendation of Suppression of neuroinflammation by an allosteric agonist and positive allosteric modulator of the α7 nicotinic acetylcholine receptor GAT107.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.740011734.793585280 ◽

2021 ◽

Author(s):

Jean-Pierre Changeux

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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Discovery of Novel, Potent, Brain-Permeable, and Orally Efficacious Positive Allosteric Modulator of α7 Nicotinic Acetylcholine Receptor [4-(5-(4-Chlorophenyl)-4-methyl-2-propionylthiophen-3-yl)benzenesulfonamide]: Structure–Activity Relationship and Preclinical Characterization

Journal of Medicinal Chemistry ◽

10.1021/acs.jmedchem.9b01569 ◽

2019 ◽

Vol 63 (3) ◽

pp. 944-960 ◽

Cited By ~ 4

Author(s):

Neelima Sinha ◽

Navnath P. Karche ◽

Mahip Kalyan Verma ◽

Sameer S. Walunj ◽

Prashant B. Nigade ◽

...

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine ◽

Structure Activity

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Characterization of RO5126946, a Novel α7 Nicotinic Acetylcholine Receptor–Positive Allosteric Modulator

Journal of Pharmacology and Experimental Therapeutics ◽

10.1124/jpet.113.210963 ◽

2014 ◽

Vol 350 (2) ◽

pp. 455-468 ◽

Cited By ~ 16

Author(s):

Sunil Sahdeo ◽

Tanya Wallace ◽

Ryoko Hirakawa ◽

Frederic Knoflach ◽

Daniel Bertrand ◽

...

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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Discovery of 4-(5-(4-Chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744) as a Novel Positive Allosteric Modulator of the α7 Nicotinic Acetylcholine Receptor

Journal of Medicinal Chemistry ◽

10.1021/jm9003818 ◽

2009 ◽

Vol 52 (10) ◽

pp. 3377-3384 ◽

Cited By ~ 39

Author(s):

Ramin Faghih ◽

Sujatha M. Gopalakrishnan ◽

Jens Halvard Gronlien ◽

John Malysz ◽

Clark A. Briggs ◽

...

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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PNU‐120596, a positive allosteric modulator of mammalian α7 nicotinic acetylcholine receptor, is a negative modulator of ligand‐gated chloride‐selective channels of the gastropod Lymnaea stagnalis

Journal of Neurochemistry ◽

10.1111/jnc.15020 ◽

2020 ◽

Vol 155 (3) ◽

pp. 274-284

Author(s):

Catherine A. Vulfius ◽

Dmitrii S. Lebedev ◽

Elena V. Kryukova ◽

Denis S. Kudryavtsev ◽

Sergey N. Kolbaev ◽

...

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Lymnaea Stagnalis ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine ◽

Negative Modulator

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LL-00066471, a novel positive allosteric modulator of α7 nicotinic acetylcholine receptor ameliorates cognitive and sensorimotor gating deficits in animal models: Discovery and preclinical characterization

European Journal of Pharmacology ◽

10.1016/j.ejphar.2020.173685 ◽

2021 ◽

Vol 891 ◽

pp. 173685

Author(s):

Mahip K. Verma ◽

Rajan N. Goel ◽

Anand M. Bokare ◽

Manoj P. Dandekar ◽

Sarita Koul ◽

...

Keyword(s):

Animal Models ◽

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Sensorimotor Gating ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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Pharmacological Characteristics and Binding Modes of Caracurine V Analogues and Related Compounds at the Neuronal α7 Nicotinic Acetylcholine Receptor

Journal of Medicinal Chemistry ◽

10.1021/jm070574f ◽

2007 ◽

Vol 50 (19) ◽

pp. 4616-4629 ◽

Cited By ~ 10

Author(s):

Anders A. Jensen ◽

Darius P. Zlotos ◽

Tommy Liljefors

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Binding Modes ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine ◽

Related Compounds

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Characterization of 2-[[4-Fluoro-3-(trifluoromethyl)phenyl]amino]-4-(4-pyridinyl)-5-thiazolemethanol (JNJ-1930942), a Novel Positive Allosteric Modulator of the α7 Nicotinic Acetylcholine Receptor

Journal of Pharmacology and Experimental Therapeutics ◽

10.1124/jpet.110.173245 ◽

2010 ◽

Vol 336 (2) ◽

pp. 560-574 ◽

Cited By ~ 60

Author(s):

Theo Dinklo ◽

Hamdy Shaban ◽

Jan Willem Thuring ◽

Hilde Lavreysen ◽

Karen E. Stevens ◽

...

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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The α7 nicotinic acetylcholine receptor (nAChR) allosteric modulator UCI-40083 differentially increases dopamine (DA) and norepinephrine (NE) release in adolescent rat brain

Biochemical Pharmacology ◽

10.1016/j.bcp.2011.07.051 ◽

2011 ◽

Vol 82 (8) ◽

pp. 1042-1043

Author(s):

E. Carboni ◽

M. Ibba ◽

R. Cadeddu ◽

D. Hogenkamp ◽

T. Johnstone ◽

...

Keyword(s):

Rat Brain ◽

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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Antidepressant activity in mice elicited by 3-furan-2-yl-N-p-tolyl-acrylamide, a positive allosteric modulator of the α7 nicotinic acetylcholine receptor

Neuroscience Letters ◽

10.1016/j.neulet.2014.03.067 ◽

2014 ◽

Vol 569 ◽

pp. 126-130 ◽

Cited By ~ 18

Author(s):

Katarzyna M. Targowska-Duda ◽

Dominik Feuerbach ◽

Grazyna Biala ◽

Krzysztof Jozwiak ◽

Hugo R. Arias

Keyword(s):

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Antidepressant Activity ◽

Allosteric Modulator ◽

Positive Allosteric Modulator ◽

Α7 Nicotinic Acetylcholine Receptor ◽

Nicotinic Acetylcholine

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